Related papers: Semiclassical Electron Correlation in Density-Matr…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
We propose a semi-classical approach based on the Vlasov equation to describe the time-dependent electronic dynamics in a bulk simple metal under an ultrashort intense laser pulse. We include in the effective potential not only the ionic…
This work develops a computational model (by Automata Networks) of phonological similarity effects involved in the formation of word-meaning associations on artificial populations of speakers. Classical studies show that in recalling…
Transport equations with a nonlocal velocity field have been introduced as a continuum model for interacting particle systems arising in physics, chemistry and biology. Fractional time derivatives, given by convolution integrals of the…
Density-matrix renormalization group is used to study the pairing when both of electron-electron and electron-phonon interactions are strong in the Holstein-Hubbard model at half-filling in a region intermediate between the adiabatic…
Dense Associative Memory (DAM) models generalize the classical Hopfield model by incorporating n-body or exponential interactions that greatly enhance storage capacity. While the criticality of DAM models has been largely investigated,…
We use techniques for lower bounds on communication to derive necessary conditions in terms of detector efficiency or amount of super-luminal communication for being able to reproduce with classical local hidden-variable theories the…
Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
The loss of contrast in double-slit electron-diffraction due to dephasing and decoherence processes is studied. It is shown that the spatial correlation function of diffraction patterns can be used to distinguish between dephasing and…
A simple position probability density formulation is presented for the motion of a particle in a spherically symmetric potential. The approach provides an alternative to Newtonian methods for presentation in an elementary course, and…
We discuss the semiclassical limit of the entanglement for the class of closed pure systems. By means of analytical and numerical calculations we obtain two main results: (i) the short-time entanglement does not depend on Planck's constant…
We reformulate the strong-interaction limit of electronic density functional theory in terms of a classical problem with a degenerate minimum. This allows us to clarify many aspects of this limit, and to write a general solution, which is…
Orbital-free density functional theory promises to deliver linear-scaling electronic structure calculations. This requires the knowledge of the non-interacting kinetic-energy density functional (KEDF), which should be accurate and must…
A method to derive the charge current density and its quantum mechanical correlation from the scattering matrix is discussed for quantum scattering systems described by a time-dependent Hamiltonian operator. The current density and charge…
We use density-matrix renormalization group, applied to a one-dimensional model of continuum Hamiltonians, to accurately solve chains of hydrogen atoms of various separations and numbers of atoms. We train and test a machine-learned…
We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…
Most of the theoretical results on the kinematic amplification of small-scale magnetic fluctuations by turbulence have been confined to the model of white-noise-like advecting turbulent velocity field. In this work, the statistics of the…
Optimization of machine learning models is commonly performed through stochastic gradient updates on randomly ordered training examples. This practice means that sub-epochs comprise of independent random samples of the training data that…
Semiclassical expansions for traces involving Greens functions have two contributions, one from the periodic or recurrent orbits of the classical system and one from the phase space volume, i.e. the paths of infinitesimal length.…